CAS 37558-16-0 Phorbol 12,13-Dibutyrate (HCID 37783)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 37558-16-0
표준 SMILES: CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCC
InChIKey: BQJRUJTZSGYBEZ-YVQNUNKESA-N
분자식: C28H40O8
평균 분자량: 504.6 g/mol
단동위원소 질량: 504.27231823

개요

Phorbol-12,13-dibutyrate is a white solid. (NTP, 1992)

이름 및 식별자

우선 이름: Phorbol 12,13-Dibutyrate
IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] butanoate
현지명: PHORBOLD이부티레이트
영어명: PHORBOLDIBUTYRATE
분자량: 0

이름 및 동의어

Phorbol 12,13-dibutyrate37558-16-0PDBUPhorbol 12,13-dibutanoatePhorbol-12,13-dibutyrate(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoateDTXSID5095862867MX82CL58CHEBI:17598NSC-622507Butanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-Phorbol 12,13 Dibutyrate

이름 더 보기

PHORBOLD이부티레이트PHORBOLDIBUTYRATE

12,13-Dibutyrate, Phorbol(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa(3,4)benzo(1,2-e)azulene-9,9a-diyl dibutanoateRefChem:861880DTXCID501386529636-433-2Phorbol dibutyratePHORBOL12,13-DIBUTYRATE61557-88-8

물성

구조 계산 물성

XLogP: 2
극성 표면적: 130 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 36
형식 전하: 0
복잡도: 1,030

실험 및 물리화학적 성질

Physical DescriptionPhorbol-12,13-dibutyrate is a white solid. (NTP, 1992)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelPoison Corrosive

Fire HazardsThe flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: This material may cause skin irritation.

Reactive GroupAlcohols and Polyols

Reactivity ProfileThis material may be sensitive to prolonged exposure to air, light and ambient temperatures. It may also be subject to autooxidation. (NTP, 1992)

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992)

First Aid · 1건

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

공급사41 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

Aladdin Scientific[email protected]

화합물 노트

불러오는 중…

PHORBOLD이부티레이트