Bivittoside A
기본 정보
- CAS
77394-03-7- 표준 SMILES
CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C5(C)C)C2(C)CCC13- InChIKey
GOYXWSSENLVERY-UHFFFAOYSA-N- 분자식
- C41H66O12
- 평균 분자량
- 751 g/mol
- 단동위원소 질량
- 750.45542754
이름 및 식별자
- 우선 이름
- Bivittoside A
- IUPAC
- 16-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one
- 영어명
- (20S)-3β-[2-O-(6-Deoxy-β-D-glucopyranosyl)-β-D-xylopyranosyloxy]-12α,20-dihydroxy-5α-lanost-9(11)-en-18-oic acid 18,20-lactone
- 분자식
- C41H66O12
- 분자량
- 750.97
이름 및 동의어
Bivittoside A77394-03-716-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one(20S)-3beta-[2-O-(6-Deoxy-beta-D-glucopyranosyl)-beta-D-xylopyranosyloxy]-12alpha,20-dihydroxy-5alpha-lanost-9(11)-en-18-oic acid 18,20-lactoneorb1702490DTXSID30998608AKOS040746631Lanost-9(11)-en-18-oic acid, 3-((2-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-xylopyranosyl)oxy)-12,20-dihydroxy-, gamma-lactone, (3beta,12alpha)-T2516212-Hydroxy-18-oxo-18,20-epoxylanost-9(11)-en-3-yl 2-O-(6-deoxyhexopyranosyl)pentopyranoside(20S)-3β-[2-O-(6-Deoxy-β-D-glucopyranosyl)-β-D-xylopyranosyloxy]-12α,20-dihydroxy-5α-lanost-9(11)-en-18-oic acid 18,20-lactoneLanost-9(11)-en-18-oic acid, 3-[[2-O-(6-deoxy-β-D-glucopyranosyl)-β-D-xylopyranosyl]oxy]-12,20-dihydroxy-, γ-lactone, (3β,12α)-
데이터베이스 식별자
- CAS
77394-03-7- PubChem CID
- 157053
- DTXSID
DTXSID30998608
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,420
물리화학적 성질
- 끓는 점
- 859.6 · 859.6±65.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.99 · 12.99±0.70(Predicted)
관련 반응
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