(1R,3Z,6S,7R,8S,9R,10R,16R,18E,20R,21S,23S,24R,25S)-25-benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide
기본 정보
- 표준 SMILES
C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)N=C(O)[C@]23C(=O)/C=C\C2=C(C(=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)[C@H](OC)[C@H]1[C@H](O)[C@H](O)[C@@]21C(=N)O- InChIKey
QXENAONMUSFVCF-QQWBOOKQSA-N- 분자식
- C38H46N2O8
- 평균 분자량
- 658.8 g/mol
- 단동위원소 질량
- 658.32541643
개요
(1R,3Z,6S,7R,8S,9R,10R,16R,18E,20R,21S,23S,24R,25S)-25-benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide has been reported in Boeremia exigua, Sonchus mauritanicus, and other organisms with data available.
이름 및 식별자
- 우선 이름
- (1R,3Z,6S,7R,8S,9R,10R,16R,18E,20R,21S,23S,24R,25S)-25-benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide
- IUPAC
- (1R,3Z,6S,7R,8S,9R,10R,16R,18E,20R,21S,23S,24R,25S)-25-benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 176 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,460
관련 반응
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