Luminaolide B
기본 정보
- 표준 SMILES
COC1CC(O)CC(=O)OC(C(C)C(O)C(C)CCC(=O)C(C)C(OC)C(C)/C=C/N(C)C=O)C(C)C(O)CC(O)C(C)C(OC)CC2CC=CC(CC(OC)CC(O)CC(=O)OC(C(C)C(O)C(C)CCC(=O)C(C)C(OC)C(C)/C=C/N(C)C=O)C(C)C(O)CC(O)C(C)C(OC)CC3CC=CC(C1)O3)O2- InChIKey
DOUNUINZQIVRLP-FMWAKIAMSA-N- 분자식
- C82H142N2O24
- 평균 분자량
- 1,540 g/mol
- 단동위원소 질량
- 1,538.99525342
개요
Luminaolide B is a diterpene lactone.
이름 및 식별자
- 우선 이름
- Luminaolide B
- IUPAC
- N-[(E)-11-[29-[(E)-12-[formyl(methyl)amino]-3-hydroxy-9-methoxy-4,8,10-trimethyl-7-oxododec-11-en-2-yl]-5,11,13,25,31,33-hexahydroxy-3,15,23,35-tetramethoxy-10,14,30,34-tetramethyl-7,27-dioxo-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-19,39-dien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide
이름 및 동의어
Luminaolide BN-((E)-11-(29-((E)-12-(formyl(methyl)amino)-3-hydroxy-9-methoxy-4,8,10-trimethyl-7-oxododec-11-en-2-yl)-5,11,13,25,31,33-hexahydroxy-3,15,23,35-tetramethoxy-10,14,30,34-tetramethyl-7,27-dioxo-8,28,41,42-tetraoxatricyclo(35.3.1.117,21)dotetraconta-19,39-dien-9-yl)-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl)-N-methylformamideN-[(E)-11-[29-[(E)-12-[formyl(methyl)amino]-3-hydroxy-9-methoxy-4,8,10-trimethyl-7-oxododec-11-en-2-yl]-5,11,13,25,31,33-hexahydroxy-3,15,23,35-tetramethoxy-10,14,30,34-tetramethyl-7,27-dioxo-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-19,39-dien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamideRefChem:154290CHEBI:220352N-[(E)-11-[29-[(E)-12-[ormyl(methyl)amino]-3-hydroxy-9-methoxy-4,8,10-trimethyl-7-oxododec-11-en-2-yl]-5,11,13,25,31,33-hexahydroxy-3,15,23,35-tetramethoxy-10,14,30,34-tetramethyl-7,27-dioxo-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-19,39-dien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylormamide
데이터베이스 식별자
- ChEBI
CHEBI:220352
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 363 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 108
- 형식 전하
- 0
- 복잡도
- 2,540
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