记录说明
(3~{S})-6-[(3~{a}~{S},4~{R},5~{S},8~{a}~{R})-4-hydroxy-3-methyl-8-methylene-3~{a},4,5,6,7,8~{a}-hexahydro-1~{H}-azulen-5-yl]-2-methyl-heptane-2,3-diol 收自 NPASS。关联生物包括 Dictyota indica。
C20H34O3
式量由分子式和标准同位素质量计算,322.250795。
(3~{S})-6-[(3~{a}~{S},4~{R},5~{S},8~{a}~{R})-4-hydroxy-3-methyl-8-methylene-3~{a},4,5,6,7,8~{a}-hexahydro-1~{H}-azulen-5-yl]-2-methyl-heptane-2,3-diol 收自 NPASS。关联生物包括 Dictyota indica。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C=C1CC[C@@H](C(C)CC[C@H](O)C(C)(C)O)[C@@H](O)[C@@H]2C(C)=CC[C@@H]12
InChIKey
BPNLNTWFSQALTE-SOHLUHMDSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(3~{S})-6-[(3~{a}~{S},4~{R},5~{S},8~{a}~{R})-4-hydroxy-3-methyl-8-methylene-3~{a},4,5,6,7,8~{a}-hexahydro-1~{H}-azulen-5-yl]-2-methyl-heptane-2,3-diol