기본 정보
- CAS
88478-01-7- 표준 SMILES
C=C(CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O)C(C)C- InChIKey
FNYATHKWPGEORD-FSIJEPPWSA-N- 분자식
- C31H52O3
- 평균 분자량
- 472.7 g/mol
- 단동위원소 질량
- 472.39164552
개요
iriversical has been reported in Iris versicolor with data available.
이름 및 식별자
- 우선 이름
- Iriversical
- IUPAC
- (2Z)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyl-11-methylidenetrideca-3,7-dienyl]cyclohexylidene]propanal
이름 및 동의어
IriversicalUNII-3X1K7Q256V88478-01-73X1K7Q256VDTXSID40237070PROPANAL, 2-((2R,3S,4S)-4-HYDROXY-2-(3-HYDROXYPROPYL)-3,4-DIMETHYL-3-((3E,7E)-4,8,12-TRIMETHYL-11-METHYLENE-3,7-TRIDECADIEN-1-YL)CYCLOHEXYLIDENE)-, (2Z)-PROPANAL, 2-((2R,3S,4S)-4-HYDROXY-2-(3-HYDROXYPROPYL)-3,4-DIMETHYL-3-((3E,7E)-4,8,12-TRIMETHYL-11-METHYLENE-3,7-TRIDECADIENYL)CYCLOHEXYLIDENE)-, (2Z)-RefChem:39730DTXCID40159561PROPANAL, 2-(4-HYDROXY-2-(3-HYDROXYPROPYL)-3,4-DIMETHYL-3-(4,8,12-TRIMETHYL-11-METHYLENE-3,7-TRIDECADIENYL)CYCLOHEXYLIDENE)-, (2R-(1Z,2alpha,3beta(3E,7E),4alpha))-SCHEMBL30208680FI162560
이름 더 보기
Q27258158(2Z)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyl-11-methylidenetrideca-3,7-dienyl]cyclohexylidene]propanal(2Z)-2-{(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyl-11-methylidenetrideca-3,7-dien-1-yl]cyclohexylidene}propanalPROPANAL, 2-(4-HYDROXY-2-(3-HYDROXYPROPYL)-3,4-DIMETHYL-3-(4,8,12-TRIMETHYL-11-METHYLENE-3,7-TRIDECADIENYL)CYCLOHEXYLIDENE)-, (2R-(1Z,2.ALPHA.,3.BETA.(3E,7E),4.ALPHA.))-
데이터베이스 식별자
- CAS
88478-01-7- PubChem CID
- 71587326
- DTXSID
DTXSID40237070- UNII
- 3X1K7Q256V
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 770
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