PA 46101 A
기본 정보
- CAS
130743-11-2- 표준 SMILES
CCC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(CCCCC3(C)C=C1C(=O)O)C(C)=CC1C(OC3OC(C)C(OC(=O)c4c(C)cccc4OC)C(OC4CC(O)C(OC)C(C)O4)C3O)C(O)CCC12- InChIKey
GUUBJNZJQYYEGQ-UHFFFAOYSA-N- 분자식
- C52H70O18
- 평균 분자량
- 983.1 g/mol
- 단동위원소 질량
- 982.45621538
개요
from Streptomyces strain PA-46101; structure given in first source
이름 및 식별자
- 우선 이름
- PA 46101 A
- IUPAC
- 3-ethyl-16,26-dihydroxy-15-[3-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-5-(2-methoxy-6-methylbenzoyl)oxy-6-methyloxan-2-yl]oxy-6,12,20-trimethyl-21,24-dioxo-22,25-dioxapentacyclo[21.2.1.01,6.011,20.014,19]hexacosa-4,12,23(26)-triene-4-carboxylic acid
이름 및 동의어
PA 46101 A130743-11-2PA-46101 A3-Ethyl-16,26-dihydroxy-15-[3-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-5-(2-methoxy-6-methylbenzoyl)oxy-6-methyloxan-2-yl]oxy-6,12,20-trimethyl-21,24-dioxo-22,25-dioxapentacyclo[21.2.1.01,6.011,20.014,19]hexacosa-4,12,23(26)-triene-4-carboxylic acid3-ethyl-16,26-dihydroxy-15-(3-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-5-(2-methoxy-6-methylbenzoyl)oxy-6-methyloxan-2-yl)oxy-6,12,20-trimethyl-21,24-dioxo-22,25-dioxapentacyclo(21.2.1.01,6.011,20.014,19)hexacosa-4,12,23(26)-triene-4-carboxylic acidRefChem:169422SCHEMBL29885046
데이터베이스 식별자
- CAS
130743-11-2- PubChem CID
- 54695541
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 253 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 2,090
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